esculetin

Ligand id: 5180

Name: esculetin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 66.76
Molecular weight 178.03
XLogP 1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
6,7-dihydroxy-2H-chromen-2-one
Synonyms
6,7-dihydroxycoumarin
aesculetin
cichorigenin
Database Links
CAS Registry No. 305-01-1
ChEBI CHEBI:490095
ChEMBL Ligand CHEMBL244743
PubChem CID 5281416
Search Google for chemical match using the InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ILEDWLMCKZNDJK
Wikipedia Esculetin